[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate

C25H30O3 — CID 143438083

IUPAC[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
SMILESCC(C)(CCc1ccc2c(c1)CCO2)COC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C25H30O3/c1-25(2,12-10-18-7-9-23-22(14-18)11-13-27-23)17-28-24(26)16-19-6-8-20-4-3-5-21(20)15-19/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3
InChIKeyXHBZOVITNBSLKW-UHFFFAOYSA-N
MW378.51 g/mol
LogP4.85
Rot. Bonds7

About [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate

[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate (PubChem CID 143438083) has the molecular formula C25H30O3 and a molecular weight of 378.51 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
PubChem CID143438083
Molecular FormulaC25H30O3
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
SMILESCC(C)(CCc1ccc2c(c1)CCO2)COC(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C25H30O3/c1-25(2,12-10-18-7-9-23-22(14-18)11-13-27-23)17-28-24(26)16-19-6-8-20-4-3-5-21(20)15-19/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3
InChIKeyXHBZOVITNBSLKW-UHFFFAOYSA-N
XLogP4.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate with MolForge

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Related Compounds

[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate;ethane;ethenol;methanol
CID 143438082
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974471
6-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylhexan-2-ol
CID 65442461
2-(2,3-dihydro-1-benzofuran-5-yl)acetate
CID 7130264
N-tert-butyl-4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutan-1-amine
CID 65308355
N-tert-butyl-5-(2,3-dihydro-1-benzofuran-5-yl)-3,3-dimethylpentan-1-amine
CID 65304245
1-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)-4-methylpentan-3-one
CID 79047128
2-cyclohexyl-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
CID 114794918
2-methylsulfanylethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 78832622
ethyl 2-(3,4-dihydro-2H-chromen-7-yl)acetate
CID 105475566
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-methylpropan-2-amine
CID 65444502
4-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylphenyl)butan-2-ol
CID 65446028

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate (CID 143438083) is [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate is CC(C)(CCc1ccc2c(c1)CCO2)COC(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
The InChIKey is XHBZOVITNBSLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O3/c1-25(2,12-10-18-7-9-23-22(14-18)11-13-27-23)17-28-24(26)16-19-6-8-20-4-3-5-21(20)15-19/h6-9,14-15H,3-5,10-13,16-17H2,1-2H3.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate?
[4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate has a molecular weight of 378.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylbutyl] 2-(2,3-dihydro-1H-inden-5-yl)acetate is sourced from PubChem (CID 143438083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).